N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

C16H19FN4 — CID 42592223

IUPACN-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C16H19FN4/c17-13-7-5-6-12(10-13)15-11-18-21-16(20-15)19-14-8-3-1-2-4-9-14/h5-7,10-11,14H,1-4,8-9H2,(H,19,20,21)
InChIKeyYQXDBCFOJDAPPV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.81
Rot. Bonds3

About N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 42592223) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID42592223
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C16H19FN4/c17-13-7-5-6-12(10-13)15-11-18-21-16(20-15)19-14-8-3-1-2-4-9-14/h5-7,10-11,14H,1-4,8-9H2,(H,19,20,21)
InChIKeyYQXDBCFOJDAPPV-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (CID 42592223) is N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is Fc1cccc(-c2cnnc(NC3CCCCCC3)n2)c1.
What is the InChIKey of N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is YQXDBCFOJDAPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-13-7-5-6-12(10-13)15-11-18-21-16(20-15)19-14-8-3-1-2-4-9-14/h5-7,10-11,14H,1-4,8-9H2,(H,19,20,21).
What are the key properties of N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 286.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42592223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).